SCHEMBL7120787

SCHEMBL7120787

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ccnc(N3CCOCC3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.51
PIK3CA P42336 2/20 0.43
USP30 Q70CQ3 2/20 0.40
FGFR1 P11362 1/20 0.39
MAPK14 Q16539 2/20 0.39
ATR Q13535 1/20 0.38
ATRIP Q8WXE1 1/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGDS O60760 1/20 0.38
EGFR P00533 1/20 0.38
ERBB3 P21860 1/20 0.38
RAB9A P51151 1/20 0.38
HSPB1 P04792 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
SLC8A1 P32418 1/20 0.37
LRRK2 Q5S007 1/20 0.37
NPC1 O15118 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7123858 0.89 USP30 (0.45) MAPK13USP30MAPTCYP1A2CYP2C19
SCHEMBL7127471 0.85 MAPK13 (0.38) MAPK13USP30FGFR1MAPK14LRRK2
SCHEMBL7113638 0.84 PIK3CA (0.43) MAPK13PIK3CAUSP30MAPK14ATR
SCHEMBL7121682 0.84 ALDH1A1 (0.36) MAPK13USP30ATRATRIPMAPT
SCHEMBL7122331 0.83 RIPK2 (0.41) MAPK13USP30FGFR1MAPTLRRK2
SCHEMBL7117122 0.82 ACACB (0.39) MAPK13CYP1A2CYP2C19RAB9ANPC1
SCHEMBL7115227 0.82 MEN1 (0.36) MAPK13USP30ATRATRIPCYP1A2
SCHEMBL7123889 0.81 EZH2 (0.39)
SCHEMBL7117240 0.81 TAS1R3 (0.43) NPC1
SCHEMBL6880816 0.81 MAPK13 (0.55) MAPK13PIK3CA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 MAPK13 4226/4885PIK3CA 882/4885USP30 2511/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.